[2-[(3-methoxyphenyl)methylamino]-2-oxidanylidene-ethyl] (E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoate

Systemtic Name: [2-[(3-methoxyphenyl)methylamino]-2-oxidanylidene-ethyl] (E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoate Openeye Name: [2-[(3-methoxyphenyl)methylamino]-2-oxo-ethyl] (E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoate CAS Name: (E)-3-(6-nitro-1,3-benzodioxol-5-yl)-2-propenoic acid [2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] (E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoate Traditional Name: (E)-3-(6-nitro-1,3-benzodioxol-5-yl)acrylic acid [2-keto-2-(m-anisylamino)ethyl] ester Formula: C20H18N2O8 MolecularWeight: 414.36552

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CNC(=O)COC(=O)C=CC2=CC3=C(C=C2[N+](=O)[O-])OCO3

Isomeric SMILES

COC1=CC=CC(=C1)CNC(=O)COC(=O)/C=C/C2=CC3=C(C=C2[N+](=O)[O-])OCO3

InChI

InChI=1S/C20H18N2O8/c1-27-15-4-2-3-13(7-15)10-21-19(23)11-28-20(24)6-5-14-8-17-18(30-12-29-17)9-16(14)22(25)26/h2-9H,10-12H2,1H3,(H,21,23)/b6-5+